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Thermodynamic study of the condensed phases of NaNO3, KNO3 and CsNO3 and their transitions

โœ Scribed by T. Jriri; J. Rogez; C. Bergman; J.C. Mathieu


Publisher
Elsevier Science
Year
1995
Tongue
English
Weight
790 KB
Volume
266
Category
Article
ISSN
0040-6031

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Structural phase transitions in RbNO 3 and CsNO 3 are studied by molecular dynamics. The simulations are based on the parameter-free potentials calculated from the Gordon+Kim modi5ed electron gas formalism, extended to ionic molecular crystals. The microscopic mechanism of the structural phase trans